Crystallography Open Database

Information card for entry 4076932

Preview

Coordinates	4076932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C176 H336 B80 Er4 Na20 O24
Calculated formula	C176 H336 B80 Er4 Na19 O24
Title of publication	Synthesis, Structural Characterization, and Reactivity of Lanthanacarboranes Incorporating “Carbons-Adjacent”nido- andarachno-Carborane Anions of the C2B10System
Authors of publication	Zi, Guofu; Li, Hung-Wing; Xie, Zuowei
Journal of publication	Organometallics
Year of publication	2002
Journal volume	21
Journal issue	16
Pages of publication	3464
a	19.1538 ± 0.001 Å
b	20.9968 ± 0.0011 Å
c	21.1095 ± 0.0011 Å
α	113.218 ± 0.001°
β	106.026 ± 0.001°
γ	93.344 ± 0.001°
Cell volume	7363.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1229
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.2375
Weighted residual factors for all reflections included in the refinement	0.2688
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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